2-ethyl-5-[5-[(phenylhydrazinylidene)methyl]furan-2-yl]isoindole-1,3-dione

C21H17N3O3 — CID 50884115

IUPAC2-ethyl-5-[5-[(phenylhydrazinylidene)methyl]furan-2-yl]isoindole-1,3-dione
SMILESCCN1C(=O)c2ccc(-c3ccc(C=NNc4ccccc4)o3)cc2C1=O
InChIInChI=1S/C21H17N3O3/c1-2-24-20(25)17-10-8-14(12-18(17)21(24)26)19-11-9-16(27-19)13-22-23-15-6-4-3-5-7-15/h3-13,23H,2H2,1H3
InChIKeyVOUNFPHKOGPQNT-UHFFFAOYSA-N
MW359.39 g/mol
LogP4.01
Rot. Bonds5

About 2-ethyl-5-[5-[(phenylhydrazinylidene)methyl]furan-2-yl]isoindole-1,3-dione

2-ethyl-5-[5-[(phenylhydrazinylidene)methyl]furan-2-yl]isoindole-1,3-dione (PubChem CID 50884115) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-ethyl-5-[5-[(phenylhydrazinylidene)methyl]furan-2-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-ethyl-5-[5-[(phenylhydrazinylidene)methyl]furan-2-yl]isoindole-1,3-dione
PubChem CID50884115
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Name2-ethyl-5-[5-[(phenylhydrazinylidene)methyl]furan-2-yl]isoindole-1,3-dione
SMILESCCN1C(=O)c2ccc(-c3ccc(C=NNc4ccccc4)o3)cc2C1=O
InChIInChI=1S/C21H17N3O3/c1-2-24-20(25)17-10-8-14(12-18(17)21(24)26)19-11-9-16(27-19)13-22-23-15-6-4-3-5-7-15/h3-13,23H,2H2,1H3
InChIKeyVOUNFPHKOGPQNT-UHFFFAOYSA-N
XLogP4.01
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-[5-[(E)-(phenylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 51138316
3-[5-[(Z)-(phenylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 94829794
2-ethyl-5-phenylisoindole-1,3-dione
CID 58482896
N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]aniline
CID 6178813
4-[(4E)-4-[[5-(2-ethyl-1,3-dioxoisoindol-5-yl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid
CID 1265935
4-[5-[[(4-sulfamoylphenyl)hydrazinylidene]methyl]furan-2-yl]benzenesulfonamide
CID 50883679
5-[(2E)-2-[[5-(3-carboxy-4-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]-2-methylbenzoic acid
CID 58586325
5-[(2E)-2-[[5-(2-carboxyphenyl)furan-2-yl]methylidene]hydrazinyl]-2-chlorobenzoic acid
CID 126223635
N-[(E)-[5-(3-bromophenyl)furan-2-yl]methylideneamino]pyridin-4-amine
CID 21208907
4-iodo-N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]aniline
CID 11840307
N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-4-nitroaniline
CID 5339495
5-[5-[(E)-[[4-[(E)-[5-(1,3-dioxoisoindol-5-yl)furan-2-yl]methylideneamino]-1,2,4-triazol-3-yl]hydrazinylidene]methyl]furan-2-yl]isoindole-1,3-dione
CID 98111643

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[5-[(phenylhydrazinylidene)methyl]furan-2-yl]isoindole-1,3-dione?
The IUPAC name of 2-ethyl-5-[5-[(phenylhydrazinylidene)methyl]furan-2-yl]isoindole-1,3-dione (CID 50884115) is 2-ethyl-5-[5-[(phenylhydrazinylidene)methyl]furan-2-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-ethyl-5-[5-[(phenylhydrazinylidene)methyl]furan-2-yl]isoindole-1,3-dione?
The canonical SMILES for 2-ethyl-5-[5-[(phenylhydrazinylidene)methyl]furan-2-yl]isoindole-1,3-dione is CCN1C(=O)c2ccc(-c3ccc(C=NNc4ccccc4)o3)cc2C1=O.
What is the InChIKey of 2-ethyl-5-[5-[(phenylhydrazinylidene)methyl]furan-2-yl]isoindole-1,3-dione?
The InChIKey is VOUNFPHKOGPQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-2-24-20(25)17-10-8-14(12-18(17)21(24)26)19-11-9-16(27-19)13-22-23-15-6-4-3-5-7-15/h3-13,23H,2H2,1H3.
What are the key properties of 2-ethyl-5-[5-[(phenylhydrazinylidene)methyl]furan-2-yl]isoindole-1,3-dione?
2-ethyl-5-[5-[(phenylhydrazinylidene)methyl]furan-2-yl]isoindole-1,3-dione has a molecular weight of 359.39 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[5-[(phenylhydrazinylidene)methyl]furan-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 50884115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).